USER MOD reduce.3.24.130724 H: found=0, std=0, add=495, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 495 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD NoAdj-H: A 28 HIS HD1 : A 28 HIS ND1 : A 67 ZNZN :(H bumps) USER MOD Set 1.1: A 24 ASN :FLIP amide:sc= -20.4! C(o=-33!,f=-30!) USER MOD Set 1.2: A 57 ASN : amide:sc= -9.89! C(o=-30!,f=-42!) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -152:sc= -0.193 (180deg=-1.87!) USER MOD Single : A 4 GLN : amide:sc= -0.642 X(o=-0.64,f=-0.87) USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 THR OG1 : rot -140:sc= -2.91! USER MOD Single : A 12 THR OG1 : rot 159:sc= 0.698 USER MOD Single : A 13 LYS NZ :NH3+ -120:sc= -2.55! (180deg=-6.94!) USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 16 ASN : amide:sc= -0.154 K(o=-0.15,f=-2.3!) USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 20 LYS NZ :NH3+ -145:sc= -0.129 (180deg=-0.938) USER MOD Single : A 22 MET CE :methyl 160:sc= -2.03! (180deg=-3.7!) USER MOD Single : A 29 THR OG1 : rot 180:sc= -0.0173 USER MOD Single : A 33 SER OG : rot -9:sc= -5.17! USER MOD Single : A 45 ASN : amide:sc= -3.8! C(o=-3.8!,f=-5.5!) USER MOD Single : A 51 THR OG1 : rot 105:sc= 0.559 USER MOD Single : A 55 LYS NZ :NH3+ -127:sc= -2.22! (180deg=-3.57!) USER MOD Single : A 56 SER OG : rot 82:sc= 1.06 USER MOD Single : A 61 GLN : amide:sc= -1.4 K(o=-1.4,f=-3.8!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -8.763 -7.112 -8.651 1.00 0.00 N ATOM 2 CA MET A 1 -9.642 -5.909 -8.727 1.00 0.00 C ATOM 3 C MET A 1 -9.977 -5.410 -7.318 1.00 0.00 C ATOM 4 O MET A 1 -9.198 -5.554 -6.397 1.00 0.00 O ATOM 5 CB MET A 1 -10.906 -6.384 -9.443 1.00 0.00 C ATOM 6 CG MET A 1 -10.521 -7.068 -10.758 1.00 0.00 C ATOM 7 SD MET A 1 -9.781 -5.852 -11.876 1.00 0.00 S ATOM 8 CE MET A 1 -11.123 -5.814 -13.090 1.00 0.00 C ATOM 0 H1 MET A 1 -8.172 -7.165 -9.505 1.00 0.00 H new ATOM 0 H2 MET A 1 -8.153 -7.044 -7.812 1.00 0.00 H new ATOM 0 H3 MET A 1 -9.350 -7.967 -8.583 1.00 0.00 H new ATOM 0 HA MET A 1 -9.165 -5.082 -9.252 1.00 0.00 H new ATOM 0 HB2 MET A 1 -11.458 -7.077 -8.808 1.00 0.00 H new ATOM 0 HB3 MET A 1 -11.565 -5.538 -9.640 1.00 0.00 H new ATOM 0 HG2 MET A 1 -9.817 -7.878 -10.567 1.00 0.00 H new ATOM 0 HG3 MET A 1 -11.402 -7.514 -11.220 1.00 0.00 H new ATOM 0 HE1 MET A 1 -10.873 -5.113 -13.887 1.00 0.00 H new ATOM 0 HE2 MET A 1 -11.260 -6.810 -13.512 1.00 0.00 H new ATOM 0 HE3 MET A 1 -12.045 -5.496 -12.603 1.00 0.00 H new ATOM 20 N ASP A 2 -11.130 -4.822 -7.144 1.00 0.00 N ATOM 21 CA ASP A 2 -11.510 -4.314 -5.794 1.00 0.00 C ATOM 22 C ASP A 2 -11.362 -5.428 -4.749 1.00 0.00 C ATOM 23 O ASP A 2 -10.280 -5.688 -4.262 1.00 0.00 O ATOM 24 CB ASP A 2 -12.972 -3.884 -5.932 1.00 0.00 C ATOM 25 CG ASP A 2 -13.074 -2.730 -6.931 1.00 0.00 C ATOM 26 OD1 ASP A 2 -12.211 -2.636 -7.787 1.00 0.00 O ATOM 27 OD2 ASP A 2 -14.014 -1.961 -6.823 1.00 0.00 O ATOM 0 H ASP A 2 -11.824 -4.672 -7.876 1.00 0.00 H new ATOM 0 HA ASP A 2 -10.876 -3.490 -5.465 1.00 0.00 H new ATOM 0 HB2 ASP A 2 -13.579 -4.725 -6.268 1.00 0.00 H new ATOM 0 HB3 ASP A 2 -13.364 -3.575 -4.963 1.00 0.00 H new ATOM 32 N ASP A 3 -12.438 -6.090 -4.402 1.00 0.00 N ATOM 33 CA ASP A 3 -12.352 -7.185 -3.391 1.00 0.00 C ATOM 34 C ASP A 3 -11.410 -6.788 -2.251 1.00 0.00 C ATOM 35 O ASP A 3 -11.273 -5.626 -1.924 1.00 0.00 O ATOM 36 CB ASP A 3 -11.795 -8.387 -4.154 1.00 0.00 C ATOM 37 CG ASP A 3 -12.661 -8.654 -5.388 1.00 0.00 C ATOM 38 OD1 ASP A 3 -13.863 -8.775 -5.227 1.00 0.00 O ATOM 39 OD2 ASP A 3 -12.104 -8.735 -6.470 1.00 0.00 O ATOM 0 H ASP A 3 -13.371 -5.918 -4.776 1.00 0.00 H new ATOM 0 HA ASP A 3 -13.319 -7.402 -2.938 1.00 0.00 H new ATOM 0 HB2 ASP A 3 -10.765 -8.195 -4.454 1.00 0.00 H new ATOM 0 HB3 ASP A 3 -11.781 -9.266 -3.509 1.00 0.00 H new ATOM 44 N GLN A 4 -10.759 -7.743 -1.646 1.00 0.00 N ATOM 45 CA GLN A 4 -9.825 -7.416 -0.530 1.00 0.00 C ATOM 46 C GLN A 4 -8.823 -6.349 -0.980 1.00 0.00 C ATOM 47 O GLN A 4 -8.640 -5.345 -0.321 1.00 0.00 O ATOM 48 CB GLN A 4 -9.109 -8.730 -0.213 1.00 0.00 C ATOM 49 CG GLN A 4 -8.323 -8.584 1.092 1.00 0.00 C ATOM 50 CD GLN A 4 -9.219 -7.960 2.163 1.00 0.00 C ATOM 51 OE1 GLN A 4 -10.355 -8.356 2.329 1.00 0.00 O ATOM 52 NE2 GLN A 4 -8.752 -6.990 2.902 1.00 0.00 N ATOM 0 H GLN A 4 -10.833 -8.734 -1.875 1.00 0.00 H new ATOM 0 HA GLN A 4 -10.343 -7.017 0.342 1.00 0.00 H new ATOM 0 HB2 GLN A 4 -9.834 -9.539 -0.124 1.00 0.00 H new ATOM 0 HB3 GLN A 4 -8.435 -8.994 -1.028 1.00 0.00 H new ATOM 0 HG2 GLN A 4 -7.966 -9.559 1.425 1.00 0.00 H new ATOM 0 HG3 GLN A 4 -7.443 -7.961 0.931 1.00 0.00 H new ATOM 0 HE21 GLN A 4 -7.798 -6.657 2.763 1.00 0.00 H new ATOM 0 HE22 GLN A 4 -9.341 -6.565 3.618 1.00 0.00 H new ATOM 61 N GLY A 5 -8.181 -6.564 -2.102 1.00 0.00 N ATOM 62 CA GLY A 5 -7.189 -5.571 -2.618 1.00 0.00 C ATOM 63 C GLY A 5 -6.414 -4.945 -1.457 1.00 0.00 C ATOM 64 O GLY A 5 -5.718 -5.624 -0.730 1.00 0.00 O ATOM 0 H GLY A 5 -8.303 -7.391 -2.686 1.00 0.00 H new ATOM 0 HA2 GLY A 5 -6.498 -6.060 -3.304 1.00 0.00 H new ATOM 0 HA3 GLY A 5 -7.703 -4.793 -3.183 1.00 0.00 H new ATOM 68 N CYS A 6 -6.525 -3.651 -1.289 1.00 0.00 N ATOM 69 CA CYS A 6 -5.797 -2.963 -0.186 1.00 0.00 C ATOM 70 C CYS A 6 -5.722 -3.843 1.074 1.00 0.00 C ATOM 71 O CYS A 6 -6.729 -4.133 1.690 1.00 0.00 O ATOM 72 CB CYS A 6 -6.623 -1.702 0.094 1.00 0.00 C ATOM 73 SG CYS A 6 -6.171 -1.051 1.707 1.00 0.00 S ATOM 0 H CYS A 6 -7.094 -3.040 -1.875 1.00 0.00 H new ATOM 0 HA CYS A 6 -4.766 -2.740 -0.461 1.00 0.00 H new ATOM 0 HB2 CYS A 6 -6.441 -0.954 -0.678 1.00 0.00 H new ATOM 0 HB3 CYS A 6 -7.687 -1.936 0.067 1.00 0.00 H new ATOM 78 N PRO A 7 -4.519 -4.216 1.425 1.00 0.00 N ATOM 79 CA PRO A 7 -4.293 -5.040 2.630 1.00 0.00 C ATOM 80 C PRO A 7 -4.095 -4.156 3.876 1.00 0.00 C ATOM 81 O PRO A 7 -4.197 -4.622 4.994 1.00 0.00 O ATOM 82 CB PRO A 7 -3.003 -5.783 2.296 1.00 0.00 C ATOM 83 CG PRO A 7 -2.283 -4.923 1.294 1.00 0.00 C ATOM 84 CD PRO A 7 -3.268 -3.923 0.730 1.00 0.00 C ATOM 0 HA PRO A 7 -5.131 -5.698 2.860 1.00 0.00 H new ATOM 0 HB2 PRO A 7 -2.396 -5.934 3.189 1.00 0.00 H new ATOM 0 HB3 PRO A 7 -3.215 -6.769 1.884 1.00 0.00 H new ATOM 0 HG2 PRO A 7 -1.448 -4.407 1.767 1.00 0.00 H new ATOM 0 HG3 PRO A 7 -1.867 -5.538 0.496 1.00 0.00 H new ATOM 0 HD2 PRO A 7 -2.943 -2.899 0.912 1.00 0.00 H new ATOM 0 HD3 PRO A 7 -3.376 -4.037 -0.349 1.00 0.00 H new ATOM 92 N ARG A 8 -3.798 -2.891 3.699 1.00 0.00 N ATOM 93 CA ARG A 8 -3.580 -2.000 4.887 1.00 0.00 C ATOM 94 C ARG A 8 -4.827 -1.153 5.181 1.00 0.00 C ATOM 95 O ARG A 8 -5.461 -1.310 6.206 1.00 0.00 O ATOM 96 CB ARG A 8 -2.397 -1.106 4.498 1.00 0.00 C ATOM 97 CG ARG A 8 -1.544 -0.805 5.730 1.00 0.00 C ATOM 98 CD ARG A 8 -0.067 -0.984 5.376 1.00 0.00 C ATOM 99 NE ARG A 8 0.677 -0.399 6.526 1.00 0.00 N ATOM 100 CZ ARG A 8 1.338 -1.177 7.338 1.00 0.00 C ATOM 101 NH1 ARG A 8 2.099 -2.122 6.862 1.00 0.00 N ATOM 102 NH2 ARG A 8 1.237 -1.007 8.629 1.00 0.00 N ATOM 0 H ARG A 8 -3.697 -2.438 2.791 1.00 0.00 H new ATOM 0 HA ARG A 8 -3.383 -2.574 5.793 1.00 0.00 H new ATOM 0 HB2 ARG A 8 -1.792 -1.600 3.738 1.00 0.00 H new ATOM 0 HB3 ARG A 8 -2.761 -0.176 4.061 1.00 0.00 H new ATOM 0 HG2 ARG A 8 -1.727 0.213 6.074 1.00 0.00 H new ATOM 0 HG3 ARG A 8 -1.817 -1.472 6.548 1.00 0.00 H new ATOM 0 HD2 ARG A 8 0.182 -2.036 5.239 1.00 0.00 H new ATOM 0 HD3 ARG A 8 0.181 -0.474 4.445 1.00 0.00 H new ATOM 0 HE ARG A 8 0.670 0.609 6.679 1.00 0.00 H new ATOM 0 HH11 ARG A 8 2.178 -2.254 5.854 1.00 0.00 H new ATOM 0 HH12 ARG A 8 2.615 -2.730 7.498 1.00 0.00 H new ATOM 0 HH21 ARG A 8 0.642 -0.267 9.001 1.00 0.00 H new ATOM 0 HH22 ARG A 8 1.753 -1.615 9.265 1.00 0.00 H new ATOM 116 N CYS A 9 -5.191 -0.262 4.296 1.00 0.00 N ATOM 117 CA CYS A 9 -6.413 0.578 4.555 1.00 0.00 C ATOM 118 C CYS A 9 -7.645 -0.038 3.888 1.00 0.00 C ATOM 119 O CYS A 9 -8.413 0.660 3.261 1.00 0.00 O ATOM 120 CB CYS A 9 -6.177 1.998 3.975 1.00 0.00 C ATOM 121 SG CYS A 9 -4.657 2.157 2.975 1.00 0.00 S ATOM 0 H CYS A 9 -4.708 -0.076 3.417 1.00 0.00 H new ATOM 0 HA CYS A 9 -6.587 0.628 5.630 1.00 0.00 H new ATOM 0 HB2 CYS A 9 -7.033 2.274 3.360 1.00 0.00 H new ATOM 0 HB3 CYS A 9 -6.133 2.711 4.798 1.00 0.00 H new ATOM 126 N LYS A 10 -7.803 -1.343 3.988 1.00 0.00 N ATOM 127 CA LYS A 10 -8.956 -2.050 3.328 1.00 0.00 C ATOM 128 C LYS A 10 -10.133 -1.099 3.065 1.00 0.00 C ATOM 129 O LYS A 10 -11.049 -0.969 3.851 1.00 0.00 O ATOM 130 CB LYS A 10 -9.346 -3.176 4.296 1.00 0.00 C ATOM 131 CG LYS A 10 -10.173 -2.621 5.455 1.00 0.00 C ATOM 132 CD LYS A 10 -10.010 -3.525 6.679 1.00 0.00 C ATOM 133 CE LYS A 10 -11.200 -4.481 6.768 1.00 0.00 C ATOM 134 NZ LYS A 10 -10.605 -5.845 6.682 1.00 0.00 N ATOM 0 H LYS A 10 -7.173 -1.956 4.506 1.00 0.00 H new ATOM 0 HA LYS A 10 -8.678 -2.438 2.348 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -9.917 -3.938 3.766 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -8.449 -3.660 4.681 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -9.850 -1.607 5.693 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -11.224 -2.562 5.170 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -9.081 -4.090 6.606 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -9.946 -2.921 7.584 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -11.746 -4.346 7.702 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -11.908 -4.307 5.957 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -11.361 -6.557 6.736 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -10.098 -5.946 5.780 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -9.941 -5.984 7.470 1.00 0.00 H new ATOM 148 N THR A 11 -10.103 -0.406 1.963 1.00 0.00 N ATOM 149 CA THR A 11 -11.205 0.547 1.674 1.00 0.00 C ATOM 150 C THR A 11 -10.978 1.213 0.320 1.00 0.00 C ATOM 151 O THR A 11 -11.889 1.461 -0.437 1.00 0.00 O ATOM 152 CB THR A 11 -11.090 1.578 2.812 1.00 0.00 C ATOM 153 OG1 THR A 11 -12.374 2.086 3.131 1.00 0.00 O ATOM 154 CG2 THR A 11 -10.159 2.733 2.395 1.00 0.00 C ATOM 0 H THR A 11 -9.370 -0.458 1.256 1.00 0.00 H new ATOM 0 HA THR A 11 -12.186 0.075 1.627 1.00 0.00 H new ATOM 0 HB THR A 11 -10.669 1.088 3.690 1.00 0.00 H new ATOM 0 HG1 THR A 11 -12.311 3.048 3.305 1.00 0.00 H new ATOM 0 HG21 THR A 11 -10.087 3.454 3.209 1.00 0.00 H new ATOM 0 HG22 THR A 11 -9.168 2.339 2.171 1.00 0.00 H new ATOM 0 HG23 THR A 11 -10.563 3.224 1.510 1.00 0.00 H new ATOM 162 N THR A 12 -9.755 1.534 0.051 1.00 0.00 N ATOM 163 CA THR A 12 -9.400 2.232 -1.208 1.00 0.00 C ATOM 164 C THR A 12 -10.127 1.657 -2.437 1.00 0.00 C ATOM 165 O THR A 12 -11.235 2.053 -2.738 1.00 0.00 O ATOM 166 CB THR A 12 -7.879 2.085 -1.295 1.00 0.00 C ATOM 167 OG1 THR A 12 -7.378 1.525 -0.088 1.00 0.00 O ATOM 168 CG2 THR A 12 -7.278 3.462 -1.496 1.00 0.00 C ATOM 0 H THR A 12 -8.964 1.338 0.665 1.00 0.00 H new ATOM 0 HA THR A 12 -9.713 3.276 -1.201 1.00 0.00 H new ATOM 0 HB THR A 12 -7.616 1.429 -2.125 1.00 0.00 H new ATOM 0 HG1 THR A 12 -6.500 1.122 -0.254 1.00 0.00 H new ATOM 0 HG21 THR A 12 -6.193 3.380 -1.561 1.00 0.00 H new ATOM 0 HG22 THR A 12 -7.664 3.897 -2.418 1.00 0.00 H new ATOM 0 HG23 THR A 12 -7.544 4.101 -0.654 1.00 0.00 H new ATOM 176 N LYS A 13 -9.524 0.761 -3.173 1.00 0.00 N ATOM 177 CA LYS A 13 -10.196 0.226 -4.387 1.00 0.00 C ATOM 178 C LYS A 13 -11.633 -0.210 -4.073 1.00 0.00 C ATOM 179 O LYS A 13 -12.462 -0.312 -4.954 1.00 0.00 O ATOM 180 CB LYS A 13 -9.321 -0.944 -4.827 1.00 0.00 C ATOM 181 CG LYS A 13 -9.671 -2.191 -4.014 1.00 0.00 C ATOM 182 CD LYS A 13 -9.223 -1.989 -2.569 1.00 0.00 C ATOM 183 CE LYS A 13 -9.527 -3.254 -1.764 1.00 0.00 C ATOM 184 NZ LYS A 13 -9.651 -2.803 -0.347 1.00 0.00 N ATOM 0 H LYS A 13 -8.597 0.379 -2.984 1.00 0.00 H new ATOM 0 HA LYS A 13 -10.292 0.971 -5.177 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -9.467 -1.139 -5.889 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -8.269 -0.694 -4.691 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -10.745 -2.375 -4.052 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -9.182 -3.067 -4.440 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -8.156 -1.770 -2.534 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -9.739 -1.134 -2.132 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -10.447 -3.726 -2.108 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -8.731 -3.990 -1.874 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -8.938 -3.287 0.235 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -9.500 -1.775 -0.295 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -10.601 -3.032 0.008 1.00 0.00 H new ATOM 198 N TYR A 14 -11.947 -0.436 -2.825 1.00 0.00 N ATOM 199 CA TYR A 14 -13.338 -0.822 -2.478 1.00 0.00 C ATOM 200 C TYR A 14 -14.197 0.441 -2.553 1.00 0.00 C ATOM 201 O TYR A 14 -15.241 0.467 -3.174 1.00 0.00 O ATOM 202 CB TYR A 14 -13.246 -1.399 -1.060 1.00 0.00 C ATOM 203 CG TYR A 14 -14.097 -2.643 -0.968 1.00 0.00 C ATOM 204 CD1 TYR A 14 -14.034 -3.609 -1.979 1.00 0.00 C ATOM 205 CD2 TYR A 14 -14.947 -2.831 0.128 1.00 0.00 C ATOM 206 CE1 TYR A 14 -14.821 -4.763 -1.895 1.00 0.00 C ATOM 207 CE2 TYR A 14 -15.735 -3.985 0.212 1.00 0.00 C ATOM 208 CZ TYR A 14 -15.672 -4.951 -0.799 1.00 0.00 C ATOM 209 OH TYR A 14 -16.448 -6.089 -0.716 1.00 0.00 O ATOM 0 H TYR A 14 -11.302 -0.370 -2.038 1.00 0.00 H new ATOM 0 HA TYR A 14 -13.789 -1.558 -3.144 1.00 0.00 H new ATOM 0 HB2 TYR A 14 -12.210 -1.635 -0.818 1.00 0.00 H new ATOM 0 HB3 TYR A 14 -13.582 -0.660 -0.332 1.00 0.00 H new ATOM 0 HD1 TYR A 14 -13.378 -3.464 -2.824 1.00 0.00 H new ATOM 0 HD2 TYR A 14 -14.995 -2.086 0.909 1.00 0.00 H new ATOM 0 HE1 TYR A 14 -14.772 -5.508 -2.675 1.00 0.00 H new ATOM 0 HE2 TYR A 14 -16.392 -4.130 1.057 1.00 0.00 H new ATOM 0 HH TYR A 14 -16.980 -6.063 0.107 1.00 0.00 H new ATOM 219 N ARG A 15 -13.723 1.505 -1.968 1.00 0.00 N ATOM 220 CA ARG A 15 -14.446 2.804 -2.040 1.00 0.00 C ATOM 221 C ARG A 15 -13.969 3.552 -3.279 1.00 0.00 C ATOM 222 O ARG A 15 -14.708 3.803 -4.208 1.00 0.00 O ATOM 223 CB ARG A 15 -14.022 3.564 -0.787 1.00 0.00 C ATOM 224 CG ARG A 15 -15.086 3.405 0.291 1.00 0.00 C ATOM 225 CD ARG A 15 -14.519 2.529 1.401 1.00 0.00 C ATOM 226 NE ARG A 15 -14.333 1.188 0.775 1.00 0.00 N ATOM 227 CZ ARG A 15 -15.190 0.237 1.028 1.00 0.00 C ATOM 228 NH1 ARG A 15 -15.232 -0.308 2.212 1.00 0.00 N ATOM 229 NH2 ARG A 15 -16.007 -0.169 0.095 1.00 0.00 N ATOM 0 H ARG A 15 -12.853 1.529 -1.436 1.00 0.00 H new ATOM 0 HA ARG A 15 -15.528 2.687 -2.097 1.00 0.00 H new ATOM 0 HB2 ARG A 15 -13.065 3.186 -0.426 1.00 0.00 H new ATOM 0 HB3 ARG A 15 -13.881 4.619 -1.020 1.00 0.00 H new ATOM 0 HG2 ARG A 15 -15.374 4.379 0.686 1.00 0.00 H new ATOM 0 HG3 ARG A 15 -15.985 2.952 -0.127 1.00 0.00 H new ATOM 0 HD2 ARG A 15 -13.574 2.925 1.774 1.00 0.00 H new ATOM 0 HD3 ARG A 15 -15.200 2.477 2.250 1.00 0.00 H new ATOM 0 HE ARG A 15 -13.542 1.016 0.154 1.00 0.00 H new ATOM 0 HH11 ARG A 15 -14.594 0.009 2.942 1.00 0.00 H new ATOM 0 HH12 ARG A 15 -15.903 -1.051 2.408 1.00 0.00 H new ATOM 0 HH21 ARG A 15 -15.975 0.257 -0.831 1.00 0.00 H new ATOM 0 HH22 ARG A 15 -16.677 -0.912 0.292 1.00 0.00 H new ATOM 243 N ASN A 16 -12.709 3.890 -3.281 1.00 0.00 N ATOM 244 CA ASN A 16 -12.102 4.612 -4.430 1.00 0.00 C ATOM 245 C ASN A 16 -12.079 3.708 -5.666 1.00 0.00 C ATOM 246 O ASN A 16 -11.330 2.753 -5.715 1.00 0.00 O ATOM 247 CB ASN A 16 -10.669 4.880 -3.981 1.00 0.00 C ATOM 248 CG ASN A 16 -10.519 6.303 -3.459 1.00 0.00 C ATOM 249 OD1 ASN A 16 -11.470 7.056 -3.407 1.00 0.00 O ATOM 250 ND2 ASN A 16 -9.339 6.699 -3.067 1.00 0.00 N ATOM 0 H ASN A 16 -12.063 3.691 -2.517 1.00 0.00 H new ATOM 0 HA ASN A 16 -12.651 5.517 -4.691 1.00 0.00 H new ATOM 0 HB2 ASN A 16 -10.390 4.171 -3.201 1.00 0.00 H new ATOM 0 HB3 ASN A 16 -9.987 4.721 -4.816 1.00 0.00 H new ATOM 0 HD21 ASN A 16 -9.211 7.647 -2.714 1.00 0.00 H new ATOM 0 HD22 ASN A 16 -8.545 6.060 -3.114 1.00 0.00 H new ATOM 257 N PRO A 17 -12.890 4.036 -6.630 1.00 0.00 N ATOM 258 CA PRO A 17 -12.941 3.238 -7.870 1.00 0.00 C ATOM 259 C PRO A 17 -11.834 3.683 -8.832 1.00 0.00 C ATOM 260 O PRO A 17 -11.434 2.950 -9.715 1.00 0.00 O ATOM 261 CB PRO A 17 -14.317 3.562 -8.440 1.00 0.00 C ATOM 262 CG PRO A 17 -14.675 4.913 -7.887 1.00 0.00 C ATOM 263 CD PRO A 17 -13.829 5.159 -6.658 1.00 0.00 C ATOM 0 HA PRO A 17 -12.792 2.171 -7.705 1.00 0.00 H new ATOM 0 HB2 PRO A 17 -14.296 3.577 -9.530 1.00 0.00 H new ATOM 0 HB3 PRO A 17 -15.050 2.811 -8.146 1.00 0.00 H new ATOM 0 HG2 PRO A 17 -14.497 5.688 -8.632 1.00 0.00 H new ATOM 0 HG3 PRO A 17 -15.734 4.952 -7.633 1.00 0.00 H new ATOM 0 HD2 PRO A 17 -13.305 6.113 -6.721 1.00 0.00 H new ATOM 0 HD3 PRO A 17 -14.439 5.189 -5.755 1.00 0.00 H new ATOM 271 N SER A 18 -11.339 4.879 -8.668 1.00 0.00 N ATOM 272 CA SER A 18 -10.260 5.371 -9.573 1.00 0.00 C ATOM 273 C SER A 18 -8.893 5.230 -8.897 1.00 0.00 C ATOM 274 O SER A 18 -8.148 6.182 -8.776 1.00 0.00 O ATOM 275 CB SER A 18 -10.588 6.845 -9.815 1.00 0.00 C ATOM 276 OG SER A 18 -11.743 6.939 -10.640 1.00 0.00 O ATOM 0 H SER A 18 -11.634 5.537 -7.947 1.00 0.00 H new ATOM 0 HA SER A 18 -10.213 4.805 -10.503 1.00 0.00 H new ATOM 0 HB2 SER A 18 -10.763 7.351 -8.866 1.00 0.00 H new ATOM 0 HB3 SER A 18 -9.744 7.344 -10.292 1.00 0.00 H new ATOM 0 HG SER A 18 -11.958 7.882 -10.796 1.00 0.00 H new ATOM 282 N LEU A 19 -8.558 4.048 -8.458 1.00 0.00 N ATOM 283 CA LEU A 19 -7.239 3.841 -7.793 1.00 0.00 C ATOM 284 C LEU A 19 -6.769 2.400 -8.010 1.00 0.00 C ATOM 285 O LEU A 19 -7.445 1.614 -8.644 1.00 0.00 O ATOM 286 CB LEU A 19 -7.499 4.146 -6.309 1.00 0.00 C ATOM 287 CG LEU A 19 -7.597 2.856 -5.481 1.00 0.00 C ATOM 288 CD1 LEU A 19 -6.219 2.486 -4.951 1.00 0.00 C ATOM 289 CD2 LEU A 19 -8.533 3.088 -4.310 1.00 0.00 C ATOM 0 H LEU A 19 -9.141 3.215 -8.531 1.00 0.00 H new ATOM 0 HA LEU A 19 -6.450 4.479 -8.192 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -6.696 4.771 -5.918 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -8.423 4.715 -6.209 1.00 0.00 H new ATOM 0 HG LEU A 19 -7.976 2.048 -6.107 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -6.289 1.571 -4.363 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -5.538 2.329 -5.787 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -5.842 3.293 -4.322 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -8.607 2.176 -3.718 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -8.144 3.894 -3.688 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -9.521 3.361 -4.682 1.00 0.00 H new ATOM 301 N LYS A 20 -5.624 2.039 -7.496 1.00 0.00 N ATOM 302 CA LYS A 20 -5.149 0.641 -7.698 1.00 0.00 C ATOM 303 C LYS A 20 -4.182 0.210 -6.609 1.00 0.00 C ATOM 304 O LYS A 20 -3.931 0.918 -5.654 1.00 0.00 O ATOM 305 CB LYS A 20 -4.440 0.655 -9.048 1.00 0.00 C ATOM 306 CG LYS A 20 -5.467 0.928 -10.135 1.00 0.00 C ATOM 307 CD LYS A 20 -4.820 0.797 -11.513 1.00 0.00 C ATOM 308 CE LYS A 20 -4.518 2.189 -12.070 1.00 0.00 C ATOM 309 NZ LYS A 20 -5.852 2.783 -12.363 1.00 0.00 N ATOM 0 H LYS A 20 -5.005 2.642 -6.953 1.00 0.00 H new ATOM 0 HA LYS A 20 -5.980 -0.063 -7.663 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -3.665 1.421 -9.060 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -3.947 -0.301 -9.226 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -6.297 0.227 -10.046 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -5.881 1.929 -10.012 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -3.901 0.215 -11.441 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -5.485 0.260 -12.189 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -3.967 2.792 -11.348 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -3.906 2.130 -12.970 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -5.787 3.380 -13.212 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -6.542 2.023 -12.526 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -6.159 3.362 -11.555 1.00 0.00 H new ATOM 323 N LEU A 21 -3.644 -0.965 -6.758 1.00 0.00 N ATOM 324 CA LEU A 21 -2.694 -1.494 -5.753 1.00 0.00 C ATOM 325 C LEU A 21 -1.328 -1.706 -6.402 1.00 0.00 C ATOM 326 O LEU A 21 -1.227 -2.232 -7.493 1.00 0.00 O ATOM 327 CB LEU A 21 -3.308 -2.828 -5.320 1.00 0.00 C ATOM 328 CG LEU A 21 -4.485 -2.589 -4.361 1.00 0.00 C ATOM 329 CD1 LEU A 21 -5.543 -1.693 -5.021 1.00 0.00 C ATOM 330 CD2 LEU A 21 -5.124 -3.932 -4.001 1.00 0.00 C ATOM 0 H LEU A 21 -3.827 -1.588 -7.545 1.00 0.00 H new ATOM 0 HA LEU A 21 -2.542 -0.822 -4.908 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -3.650 -3.380 -6.196 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -2.552 -3.442 -4.832 1.00 0.00 H new ATOM 0 HG LEU A 21 -4.111 -2.096 -3.464 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -6.369 -1.534 -4.328 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -5.097 -0.733 -5.279 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -5.915 -2.175 -5.925 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -5.959 -3.767 -3.321 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -5.485 -4.418 -4.908 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -4.383 -4.569 -3.518 1.00 0.00 H new ATOM 342 N MET A 22 -0.271 -1.293 -5.754 1.00 0.00 N ATOM 343 CA MET A 22 1.067 -1.472 -6.368 1.00 0.00 C ATOM 344 C MET A 22 1.682 -2.795 -5.945 1.00 0.00 C ATOM 345 O MET A 22 1.773 -3.121 -4.779 1.00 0.00 O ATOM 346 CB MET A 22 1.958 -0.306 -5.904 1.00 0.00 C ATOM 347 CG MET A 22 1.156 0.780 -5.171 1.00 0.00 C ATOM 348 SD MET A 22 2.060 2.348 -5.238 1.00 0.00 S ATOM 349 CE MET A 22 0.764 3.386 -4.518 1.00 0.00 C ATOM 0 H MET A 22 -0.280 -0.845 -4.838 1.00 0.00 H new ATOM 0 HA MET A 22 0.978 -1.480 -7.454 1.00 0.00 H new ATOM 0 HB2 MET A 22 2.738 -0.687 -5.245 1.00 0.00 H new ATOM 0 HB3 MET A 22 2.457 0.134 -6.767 1.00 0.00 H new ATOM 0 HG2 MET A 22 0.174 0.894 -5.630 1.00 0.00 H new ATOM 0 HG3 MET A 22 0.991 0.487 -4.134 1.00 0.00 H new ATOM 0 HE1 MET A 22 1.205 4.307 -4.136 1.00 0.00 H new ATOM 0 HE2 MET A 22 0.025 3.627 -5.282 1.00 0.00 H new ATOM 0 HE3 MET A 22 0.280 2.850 -3.701 1.00 0.00 H new ATOM 359 N VAL A 23 2.132 -3.544 -6.901 1.00 0.00 N ATOM 360 CA VAL A 23 2.779 -4.843 -6.598 1.00 0.00 C ATOM 361 C VAL A 23 4.255 -4.578 -6.368 1.00 0.00 C ATOM 362 O VAL A 23 4.724 -3.484 -6.608 1.00 0.00 O ATOM 363 CB VAL A 23 2.554 -5.673 -7.848 1.00 0.00 C ATOM 364 CG1 VAL A 23 3.481 -6.890 -7.841 1.00 0.00 C ATOM 365 CG2 VAL A 23 1.101 -6.130 -7.884 1.00 0.00 C ATOM 0 H VAL A 23 2.079 -3.310 -7.892 1.00 0.00 H new ATOM 0 HA VAL A 23 2.388 -5.350 -5.716 1.00 0.00 H new ATOM 0 HB VAL A 23 2.773 -5.072 -8.730 1.00 0.00 H new ATOM 0 HG11 VAL A 23 3.313 -7.480 -8.742 1.00 0.00 H new ATOM 0 HG12 VAL A 23 4.519 -6.557 -7.814 1.00 0.00 H new ATOM 0 HG13 VAL A 23 3.273 -7.501 -6.963 1.00 0.00 H new ATOM 0 HG21 VAL A 23 0.930 -6.728 -8.779 1.00 0.00 H new ATOM 0 HG22 VAL A 23 0.887 -6.731 -7.000 1.00 0.00 H new ATOM 0 HG23 VAL A 23 0.446 -5.259 -7.898 1.00 0.00 H new ATOM 375 N ASN A 24 5.006 -5.521 -5.885 1.00 0.00 N ATOM 376 CA ASN A 24 6.426 -5.187 -5.652 1.00 0.00 C ATOM 377 C ASN A 24 7.343 -6.394 -5.613 1.00 0.00 C ATOM 378 O ASN A 24 7.115 -7.323 -4.878 1.00 0.00 O ATOM 379 CB ASN A 24 6.428 -4.501 -4.303 1.00 0.00 C ATOM 380 CG ASN A 24 6.207 -3.033 -4.563 1.00 0.00 C ATOM 381 OD1 ASN A 24 6.880 -2.468 -5.530 1.00 0.00 O flip ATOM 382 ND2 ASN A 24 5.430 -2.394 -3.887 1.00 0.00 N flip ATOM 0 H ASN A 24 4.713 -6.469 -5.650 1.00 0.00 H new ATOM 0 HA ASN A 24 6.808 -4.575 -6.469 1.00 0.00 H new ATOM 0 HB2 ASN A 24 5.642 -4.903 -3.663 1.00 0.00 H new ATOM 0 HB3 ASN A 24 7.374 -4.664 -3.787 1.00 0.00 H new ATOM 0 HD21 ASN A 24 4.912 -2.851 -3.136 1.00 0.00 H new ATOM 0 HD22 ASN A 24 5.294 -1.400 -4.069 1.00 0.00 H new ATOM 389 N VAL A 25 8.412 -6.323 -6.366 1.00 0.00 N ATOM 390 CA VAL A 25 9.452 -7.401 -6.393 1.00 0.00 C ATOM 391 C VAL A 25 8.943 -8.736 -5.813 1.00 0.00 C ATOM 392 O VAL A 25 8.626 -9.651 -6.548 1.00 0.00 O ATOM 393 CB VAL A 25 10.613 -6.807 -5.569 1.00 0.00 C ATOM 394 CG1 VAL A 25 10.081 -5.955 -4.408 1.00 0.00 C ATOM 395 CG2 VAL A 25 11.488 -7.915 -5.000 1.00 0.00 C ATOM 0 H VAL A 25 8.614 -5.537 -6.984 1.00 0.00 H new ATOM 0 HA VAL A 25 9.749 -7.662 -7.409 1.00 0.00 H new ATOM 0 HB VAL A 25 11.202 -6.180 -6.238 1.00 0.00 H new ATOM 0 HG11 VAL A 25 10.919 -5.547 -3.842 1.00 0.00 H new ATOM 0 HG12 VAL A 25 9.478 -5.137 -4.803 1.00 0.00 H new ATOM 0 HG13 VAL A 25 9.468 -6.574 -3.753 1.00 0.00 H new ATOM 0 HG21 VAL A 25 12.301 -7.476 -4.422 1.00 0.00 H new ATOM 0 HG22 VAL A 25 10.889 -8.556 -4.354 1.00 0.00 H new ATOM 0 HG23 VAL A 25 11.902 -8.507 -5.816 1.00 0.00 H new ATOM 405 N CYS A 26 8.856 -8.863 -4.513 1.00 0.00 N ATOM 406 CA CYS A 26 8.364 -10.145 -3.918 1.00 0.00 C ATOM 407 C CYS A 26 6.944 -10.469 -4.407 1.00 0.00 C ATOM 408 O CYS A 26 6.439 -11.553 -4.191 1.00 0.00 O ATOM 409 CB CYS A 26 8.356 -9.890 -2.411 1.00 0.00 C ATOM 410 SG CYS A 26 7.317 -8.451 -2.059 1.00 0.00 S ATOM 0 H CYS A 26 9.103 -8.138 -3.839 1.00 0.00 H new ATOM 0 HA CYS A 26 8.990 -10.992 -4.199 1.00 0.00 H new ATOM 0 HB2 CYS A 26 7.977 -10.765 -1.884 1.00 0.00 H new ATOM 0 HB3 CYS A 26 9.371 -9.717 -2.054 1.00 0.00 H new ATOM 415 N GLY A 27 6.293 -9.537 -5.045 1.00 0.00 N ATOM 416 CA GLY A 27 4.905 -9.782 -5.525 1.00 0.00 C ATOM 417 C GLY A 27 3.942 -8.995 -4.638 1.00 0.00 C ATOM 418 O GLY A 27 4.059 -7.795 -4.494 1.00 0.00 O ATOM 0 H GLY A 27 6.665 -8.611 -5.256 1.00 0.00 H new ATOM 0 HA2 GLY A 27 4.803 -9.471 -6.565 1.00 0.00 H new ATOM 0 HA3 GLY A 27 4.673 -10.846 -5.486 1.00 0.00 H new ATOM 422 N HIS A 28 3.003 -9.658 -4.025 1.00 0.00 N ATOM 423 CA HIS A 28 2.055 -8.938 -3.130 1.00 0.00 C ATOM 424 C HIS A 28 1.525 -7.678 -3.821 1.00 0.00 C ATOM 425 O HIS A 28 1.642 -7.529 -5.021 1.00 0.00 O ATOM 426 CB HIS A 28 2.899 -8.615 -1.897 1.00 0.00 C ATOM 427 CG HIS A 28 3.287 -9.930 -1.265 1.00 0.00 C ATOM 428 ND1 HIS A 28 4.558 -10.221 -0.743 1.00 0.00 N ATOM 429 CD2 HIS A 28 2.565 -11.091 -1.138 1.00 0.00 C ATOM 430 CE1 HIS A 28 4.534 -11.512 -0.355 1.00 0.00 C ATOM 431 NE2 HIS A 28 3.351 -12.080 -0.568 1.00 0.00 N ATOM 0 H HIS A 28 2.851 -10.663 -4.104 1.00 0.00 H new ATOM 0 HA HIS A 28 1.168 -9.517 -2.872 1.00 0.00 H new ATOM 0 HB2 HIS A 28 3.786 -8.046 -2.176 1.00 0.00 H new ATOM 0 HB3 HIS A 28 2.335 -8.002 -1.194 1.00 0.00 H new ATOM 0 HD2 HIS A 28 1.535 -11.215 -1.438 1.00 0.00 H new ATOM 0 HE1 HIS A 28 5.379 -12.026 0.079 1.00 0.00 H new ATOM 0 HE2 HIS A 28 3.079 -13.040 -0.357 1.00 0.00 H new ATOM 439 N THR A 29 0.918 -6.781 -3.091 1.00 0.00 N ATOM 440 CA THR A 29 0.363 -5.560 -3.745 1.00 0.00 C ATOM 441 C THR A 29 0.139 -4.446 -2.725 1.00 0.00 C ATOM 442 O THR A 29 0.270 -4.645 -1.533 1.00 0.00 O ATOM 443 CB THR A 29 -0.955 -6.054 -4.359 1.00 0.00 C ATOM 444 OG1 THR A 29 -1.020 -5.643 -5.718 1.00 0.00 O ATOM 445 CG2 THR A 29 -2.185 -5.506 -3.600 1.00 0.00 C ATOM 0 H THR A 29 0.783 -6.839 -2.082 1.00 0.00 H new ATOM 0 HA THR A 29 1.031 -5.127 -4.490 1.00 0.00 H new ATOM 0 HB THR A 29 -0.974 -7.141 -4.285 1.00 0.00 H new ATOM 0 HG1 THR A 29 -1.859 -5.957 -6.115 1.00 0.00 H new ATOM 0 HG21 THR A 29 -3.097 -5.879 -4.067 1.00 0.00 H new ATOM 0 HG22 THR A 29 -2.148 -5.835 -2.561 1.00 0.00 H new ATOM 0 HG23 THR A 29 -2.179 -4.417 -3.636 1.00 0.00 H new ATOM 453 N LEU A 30 -0.202 -3.271 -3.183 1.00 0.00 N ATOM 454 CA LEU A 30 -0.431 -2.162 -2.214 1.00 0.00 C ATOM 455 C LEU A 30 -1.320 -1.061 -2.794 1.00 0.00 C ATOM 456 O LEU A 30 -0.882 -0.233 -3.566 1.00 0.00 O ATOM 457 CB LEU A 30 0.967 -1.621 -1.910 1.00 0.00 C ATOM 458 CG LEU A 30 1.029 -1.024 -0.506 1.00 0.00 C ATOM 459 CD1 LEU A 30 0.218 -1.879 0.471 1.00 0.00 C ATOM 460 CD2 LEU A 30 2.487 -0.973 -0.045 1.00 0.00 C ATOM 0 H LEU A 30 -0.330 -3.034 -4.167 1.00 0.00 H new ATOM 0 HA LEU A 30 -0.952 -2.515 -1.324 1.00 0.00 H new ATOM 0 HB2 LEU A 30 1.699 -2.424 -2.001 1.00 0.00 H new ATOM 0 HB3 LEU A 30 1.235 -0.861 -2.644 1.00 0.00 H new ATOM 0 HG LEU A 30 0.609 -0.018 -0.528 1.00 0.00 H new ATOM 0 HD11 LEU A 30 0.271 -1.442 1.468 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -0.822 -1.916 0.146 1.00 0.00 H new ATOM 0 HD13 LEU A 30 0.626 -2.889 0.496 1.00 0.00 H new ATOM 0 HD21 LEU A 30 2.537 -0.547 0.957 1.00 0.00 H new ATOM 0 HD22 LEU A 30 2.900 -1.982 -0.032 1.00 0.00 H new ATOM 0 HD23 LEU A 30 3.064 -0.354 -0.731 1.00 0.00 H new ATOM 472 N CYS A 31 -2.559 -1.033 -2.398 1.00 0.00 N ATOM 473 CA CYS A 31 -3.488 0.022 -2.890 1.00 0.00 C ATOM 474 C CYS A 31 -2.808 1.391 -2.830 1.00 0.00 C ATOM 475 O CYS A 31 -1.711 1.532 -2.325 1.00 0.00 O ATOM 476 CB CYS A 31 -4.687 -0.073 -1.933 1.00 0.00 C ATOM 477 SG CYS A 31 -4.727 1.312 -0.747 1.00 0.00 S ATOM 0 H CYS A 31 -2.973 -1.702 -1.748 1.00 0.00 H new ATOM 0 HA CYS A 31 -3.790 -0.109 -3.929 1.00 0.00 H new ATOM 0 HB2 CYS A 31 -5.612 -0.083 -2.510 1.00 0.00 H new ATOM 0 HB3 CYS A 31 -4.642 -1.016 -1.388 1.00 0.00 H new ATOM 482 N GLU A 32 -3.460 2.401 -3.319 1.00 0.00 N ATOM 483 CA GLU A 32 -2.851 3.756 -3.264 1.00 0.00 C ATOM 484 C GLU A 32 -2.804 4.230 -1.809 1.00 0.00 C ATOM 485 O GLU A 32 -1.813 4.758 -1.362 1.00 0.00 O ATOM 486 CB GLU A 32 -3.751 4.650 -4.129 1.00 0.00 C ATOM 487 CG GLU A 32 -5.142 4.781 -3.504 1.00 0.00 C ATOM 488 CD GLU A 32 -5.134 5.898 -2.459 1.00 0.00 C ATOM 489 OE1 GLU A 32 -4.095 6.515 -2.287 1.00 0.00 O ATOM 490 OE2 GLU A 32 -6.166 6.118 -1.848 1.00 0.00 O ATOM 0 H GLU A 32 -4.382 2.351 -3.752 1.00 0.00 H new ATOM 0 HA GLU A 32 -1.826 3.777 -3.636 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -3.299 5.636 -4.234 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -3.835 4.229 -5.131 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -5.880 4.998 -4.277 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -5.433 3.838 -3.041 1.00 0.00 H new ATOM 497 N SER A 33 -3.866 4.034 -1.075 1.00 0.00 N ATOM 498 CA SER A 33 -3.894 4.464 0.358 1.00 0.00 C ATOM 499 C SER A 33 -2.867 3.695 1.192 1.00 0.00 C ATOM 500 O SER A 33 -2.583 4.069 2.312 1.00 0.00 O ATOM 501 CB SER A 33 -5.318 4.168 0.868 1.00 0.00 C ATOM 502 OG SER A 33 -6.229 5.070 0.253 1.00 0.00 O ATOM 0 H SER A 33 -4.723 3.591 -1.407 1.00 0.00 H new ATOM 0 HA SER A 33 -3.642 5.521 0.446 1.00 0.00 H new ATOM 0 HB2 SER A 33 -5.594 3.139 0.637 1.00 0.00 H new ATOM 0 HB3 SER A 33 -5.359 4.273 1.952 1.00 0.00 H new ATOM 0 HG SER A 33 -5.729 5.758 -0.235 1.00 0.00 H new ATOM 508 N CYS A 34 -2.295 2.633 0.688 1.00 0.00 N ATOM 509 CA CYS A 34 -1.298 1.916 1.526 1.00 0.00 C ATOM 510 C CYS A 34 0.052 2.619 1.430 1.00 0.00 C ATOM 511 O CYS A 34 0.629 3.024 2.421 1.00 0.00 O ATOM 512 CB CYS A 34 -1.175 0.511 0.958 1.00 0.00 C ATOM 513 SG CYS A 34 -2.484 -0.558 1.609 1.00 0.00 S ATOM 0 H CYS A 34 -2.469 2.243 -0.238 1.00 0.00 H new ATOM 0 HA CYS A 34 -1.607 1.896 2.571 1.00 0.00 H new ATOM 0 HB2 CYS A 34 -1.235 0.546 -0.130 1.00 0.00 H new ATOM 0 HB3 CYS A 34 -0.200 0.095 1.210 1.00 0.00 H new ATOM 518 N VAL A 35 0.562 2.756 0.239 1.00 0.00 N ATOM 519 CA VAL A 35 1.879 3.422 0.059 1.00 0.00 C ATOM 520 C VAL A 35 1.979 4.651 0.978 1.00 0.00 C ATOM 521 O VAL A 35 3.049 5.020 1.414 1.00 0.00 O ATOM 522 CB VAL A 35 1.927 3.788 -1.434 1.00 0.00 C ATOM 523 CG1 VAL A 35 2.670 5.110 -1.643 1.00 0.00 C ATOM 524 CG2 VAL A 35 2.649 2.676 -2.193 1.00 0.00 C ATOM 0 H VAL A 35 0.120 2.433 -0.622 1.00 0.00 H new ATOM 0 HA VAL A 35 2.725 2.790 0.329 1.00 0.00 H new ATOM 0 HB VAL A 35 0.908 3.900 -1.805 1.00 0.00 H new ATOM 0 HG11 VAL A 35 2.693 5.351 -2.706 1.00 0.00 H new ATOM 0 HG12 VAL A 35 2.157 5.905 -1.102 1.00 0.00 H new ATOM 0 HG13 VAL A 35 3.690 5.017 -1.270 1.00 0.00 H new ATOM 0 HG21 VAL A 35 2.689 2.926 -3.253 1.00 0.00 H new ATOM 0 HG22 VAL A 35 3.663 2.571 -1.807 1.00 0.00 H new ATOM 0 HG23 VAL A 35 2.111 1.737 -2.061 1.00 0.00 H new ATOM 534 N ASP A 36 0.877 5.275 1.306 1.00 0.00 N ATOM 535 CA ASP A 36 0.966 6.459 2.231 1.00 0.00 C ATOM 536 C ASP A 36 1.267 5.976 3.654 1.00 0.00 C ATOM 537 O ASP A 36 2.387 6.061 4.119 1.00 0.00 O ATOM 538 CB ASP A 36 -0.373 7.237 2.194 1.00 0.00 C ATOM 539 CG ASP A 36 -1.451 6.497 1.415 1.00 0.00 C ATOM 540 OD1 ASP A 36 -1.173 6.103 0.301 1.00 0.00 O ATOM 541 OD2 ASP A 36 -2.540 6.350 1.942 1.00 0.00 O ATOM 0 H ASP A 36 -0.060 5.030 0.987 1.00 0.00 H new ATOM 0 HA ASP A 36 1.770 7.122 1.910 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -0.718 7.409 3.213 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -0.209 8.216 1.743 1.00 0.00 H new ATOM 546 N LEU A 37 0.287 5.461 4.347 1.00 0.00 N ATOM 547 CA LEU A 37 0.535 4.970 5.736 1.00 0.00 C ATOM 548 C LEU A 37 1.774 4.081 5.769 1.00 0.00 C ATOM 549 O LEU A 37 2.550 4.116 6.699 1.00 0.00 O ATOM 550 CB LEU A 37 -0.713 4.163 6.096 1.00 0.00 C ATOM 551 CG LEU A 37 -1.752 5.086 6.734 1.00 0.00 C ATOM 552 CD1 LEU A 37 -2.757 5.536 5.672 1.00 0.00 C ATOM 553 CD2 LEU A 37 -2.488 4.334 7.844 1.00 0.00 C ATOM 0 H LEU A 37 -0.672 5.359 4.014 1.00 0.00 H new ATOM 0 HA LEU A 37 0.712 5.785 6.437 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -1.127 3.695 5.203 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -0.453 3.360 6.785 1.00 0.00 H new ATOM 0 HG LEU A 37 -1.252 5.959 7.154 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -3.497 6.194 6.127 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -2.234 6.072 4.880 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -3.257 4.664 5.251 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -3.229 4.991 8.299 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -2.987 3.461 7.423 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -1.773 4.013 8.602 1.00 0.00 H new ATOM 565 N LEU A 38 1.954 3.282 4.763 1.00 0.00 N ATOM 566 CA LEU A 38 3.130 2.367 4.724 1.00 0.00 C ATOM 567 C LEU A 38 4.456 3.135 4.807 1.00 0.00 C ATOM 568 O LEU A 38 5.333 2.787 5.573 1.00 0.00 O ATOM 569 CB LEU A 38 3.016 1.662 3.370 1.00 0.00 C ATOM 570 CG LEU A 38 3.659 0.276 3.447 1.00 0.00 C ATOM 571 CD1 LEU A 38 5.021 0.377 4.135 1.00 0.00 C ATOM 572 CD2 LEU A 38 2.753 -0.663 4.248 1.00 0.00 C ATOM 0 H LEU A 38 1.333 3.220 3.956 1.00 0.00 H new ATOM 0 HA LEU A 38 3.129 1.679 5.570 1.00 0.00 H new ATOM 0 HB2 LEU A 38 1.968 1.571 3.085 1.00 0.00 H new ATOM 0 HB3 LEU A 38 3.505 2.257 2.599 1.00 0.00 H new ATOM 0 HG LEU A 38 3.792 -0.116 2.439 1.00 0.00 H new ATOM 0 HD11 LEU A 38 5.476 -0.612 4.188 1.00 0.00 H new ATOM 0 HD12 LEU A 38 5.668 1.044 3.565 1.00 0.00 H new ATOM 0 HD13 LEU A 38 4.891 0.771 5.143 1.00 0.00 H new ATOM 0 HD21 LEU A 38 3.211 -1.651 4.303 1.00 0.00 H new ATOM 0 HD22 LEU A 38 2.619 -0.268 5.255 1.00 0.00 H new ATOM 0 HD23 LEU A 38 1.783 -0.739 3.757 1.00 0.00 H new ATOM 584 N PHE A 39 4.634 4.142 3.996 1.00 0.00 N ATOM 585 CA PHE A 39 5.937 4.880 4.005 1.00 0.00 C ATOM 586 C PHE A 39 5.954 6.034 5.008 1.00 0.00 C ATOM 587 O PHE A 39 6.992 6.367 5.546 1.00 0.00 O ATOM 588 CB PHE A 39 6.111 5.397 2.574 1.00 0.00 C ATOM 589 CG PHE A 39 5.751 4.296 1.603 1.00 0.00 C ATOM 590 CD1 PHE A 39 5.852 2.957 2.004 1.00 0.00 C ATOM 591 CD2 PHE A 39 5.300 4.609 0.317 1.00 0.00 C ATOM 592 CE1 PHE A 39 5.493 1.937 1.127 1.00 0.00 C ATOM 593 CE2 PHE A 39 4.947 3.582 -0.564 1.00 0.00 C ATOM 594 CZ PHE A 39 5.040 2.249 -0.153 1.00 0.00 C ATOM 0 H PHE A 39 3.942 4.486 3.331 1.00 0.00 H new ATOM 0 HA PHE A 39 6.751 4.225 4.316 1.00 0.00 H new ATOM 0 HB2 PHE A 39 5.475 6.267 2.409 1.00 0.00 H new ATOM 0 HB3 PHE A 39 7.140 5.719 2.413 1.00 0.00 H new ATOM 0 HD1 PHE A 39 6.209 2.716 2.994 1.00 0.00 H new ATOM 0 HD2 PHE A 39 5.225 5.640 0.005 1.00 0.00 H new ATOM 0 HE1 PHE A 39 5.566 0.905 1.438 1.00 0.00 H new ATOM 0 HE2 PHE A 39 4.603 3.818 -1.560 1.00 0.00 H new ATOM 0 HZ PHE A 39 4.759 1.457 -0.831 1.00 0.00 H new ATOM 604 N VAL A 40 4.844 6.663 5.266 1.00 0.00 N ATOM 605 CA VAL A 40 4.880 7.798 6.234 1.00 0.00 C ATOM 606 C VAL A 40 5.483 7.337 7.564 1.00 0.00 C ATOM 607 O VAL A 40 5.989 8.133 8.329 1.00 0.00 O ATOM 608 CB VAL A 40 3.433 8.253 6.414 1.00 0.00 C ATOM 609 CG1 VAL A 40 2.994 9.047 5.183 1.00 0.00 C ATOM 610 CG2 VAL A 40 2.530 7.041 6.581 1.00 0.00 C ATOM 0 H VAL A 40 3.932 6.450 4.861 1.00 0.00 H new ATOM 0 HA VAL A 40 5.500 8.618 5.872 1.00 0.00 H new ATOM 0 HB VAL A 40 3.361 8.882 7.302 1.00 0.00 H new ATOM 0 HG11 VAL A 40 1.962 9.373 5.309 1.00 0.00 H new ATOM 0 HG12 VAL A 40 3.637 9.919 5.064 1.00 0.00 H new ATOM 0 HG13 VAL A 40 3.070 8.416 4.297 1.00 0.00 H new ATOM 0 HG21 VAL A 40 1.499 7.370 6.709 1.00 0.00 H new ATOM 0 HG22 VAL A 40 2.602 6.409 5.696 1.00 0.00 H new ATOM 0 HG23 VAL A 40 2.841 6.474 7.458 1.00 0.00 H new ATOM 620 N ARG A 41 5.457 6.059 7.843 1.00 0.00 N ATOM 621 CA ARG A 41 6.061 5.580 9.127 1.00 0.00 C ATOM 622 C ARG A 41 7.547 5.288 8.913 1.00 0.00 C ATOM 623 O ARG A 41 8.323 5.265 9.848 1.00 0.00 O ATOM 624 CB ARG A 41 5.335 4.285 9.536 1.00 0.00 C ATOM 625 CG ARG A 41 3.998 4.144 8.811 1.00 0.00 C ATOM 626 CD ARG A 41 3.048 3.290 9.652 1.00 0.00 C ATOM 627 NE ARG A 41 3.862 2.114 10.069 1.00 0.00 N ATOM 628 CZ ARG A 41 4.071 1.135 9.232 1.00 0.00 C ATOM 629 NH1 ARG A 41 4.860 1.310 8.206 1.00 0.00 N ATOM 630 NH2 ARG A 41 3.491 -0.019 9.420 1.00 0.00 N ATOM 0 H ARG A 41 5.051 5.335 7.250 1.00 0.00 H new ATOM 0 HA ARG A 41 5.958 6.337 9.905 1.00 0.00 H new ATOM 0 HB2 ARG A 41 5.966 3.425 9.310 1.00 0.00 H new ATOM 0 HB3 ARG A 41 5.169 4.284 10.613 1.00 0.00 H new ATOM 0 HG2 ARG A 41 3.562 5.127 8.636 1.00 0.00 H new ATOM 0 HG3 ARG A 41 4.149 3.684 7.834 1.00 0.00 H new ATOM 0 HD2 ARG A 41 2.680 3.843 10.516 1.00 0.00 H new ATOM 0 HD3 ARG A 41 2.176 2.983 9.075 1.00 0.00 H new ATOM 0 HE ARG A 41 4.256 2.074 11.009 1.00 0.00 H new ATOM 0 HH11 ARG A 41 5.313 2.212 8.059 1.00 0.00 H new ATOM 0 HH12 ARG A 41 5.023 0.545 7.552 1.00 0.00 H new ATOM 0 HH21 ARG A 41 2.874 -0.155 10.221 1.00 0.00 H new ATOM 0 HH22 ARG A 41 3.654 -0.784 8.766 1.00 0.00 H new ATOM 644 N GLY A 42 7.954 5.061 7.691 1.00 0.00 N ATOM 645 CA GLY A 42 9.393 4.770 7.442 1.00 0.00 C ATOM 646 C GLY A 42 9.628 4.355 5.983 1.00 0.00 C ATOM 647 O GLY A 42 10.712 4.524 5.462 1.00 0.00 O ATOM 0 H GLY A 42 7.357 5.065 6.864 1.00 0.00 H new ATOM 0 HA2 GLY A 42 9.991 5.651 7.673 1.00 0.00 H new ATOM 0 HA3 GLY A 42 9.727 3.974 8.108 1.00 0.00 H new ATOM 651 N ALA A 43 8.644 3.810 5.311 1.00 0.00 N ATOM 652 CA ALA A 43 8.874 3.393 3.890 1.00 0.00 C ATOM 653 C ALA A 43 9.989 2.342 3.820 1.00 0.00 C ATOM 654 O ALA A 43 11.093 2.566 4.276 1.00 0.00 O ATOM 655 CB ALA A 43 9.304 4.674 3.172 1.00 0.00 C ATOM 0 H ALA A 43 7.707 3.637 5.675 1.00 0.00 H new ATOM 0 HA ALA A 43 7.987 2.946 3.440 1.00 0.00 H new ATOM 0 HB1 ALA A 43 9.493 4.456 2.121 1.00 0.00 H new ATOM 0 HB2 ALA A 43 8.512 5.419 3.251 1.00 0.00 H new ATOM 0 HB3 ALA A 43 10.213 5.061 3.632 1.00 0.00 H new ATOM 661 N GLY A 44 9.716 1.199 3.248 1.00 0.00 N ATOM 662 CA GLY A 44 10.769 0.148 3.152 1.00 0.00 C ATOM 663 C GLY A 44 10.274 -1.155 3.788 1.00 0.00 C ATOM 664 O GLY A 44 11.024 -1.871 4.418 1.00 0.00 O ATOM 0 H GLY A 44 8.813 0.949 2.845 1.00 0.00 H new ATOM 0 HA2 GLY A 44 11.028 -0.024 2.107 1.00 0.00 H new ATOM 0 HA3 GLY A 44 11.676 0.485 3.654 1.00 0.00 H new ATOM 668 N ASN A 45 9.017 -1.474 3.624 1.00 0.00 N ATOM 669 CA ASN A 45 8.483 -2.736 4.217 1.00 0.00 C ATOM 670 C ASN A 45 7.248 -3.205 3.442 1.00 0.00 C ATOM 671 O ASN A 45 6.284 -2.479 3.301 1.00 0.00 O ATOM 672 CB ASN A 45 8.102 -2.377 5.656 1.00 0.00 C ATOM 673 CG ASN A 45 9.283 -1.696 6.349 1.00 0.00 C ATOM 674 OD1 ASN A 45 9.451 -0.496 6.247 1.00 0.00 O ATOM 675 ND2 ASN A 45 10.113 -2.413 7.055 1.00 0.00 N ATOM 0 H ASN A 45 8.338 -0.916 3.106 1.00 0.00 H new ATOM 0 HA ASN A 45 9.213 -3.545 4.179 1.00 0.00 H new ATOM 0 HB2 ASN A 45 7.236 -1.715 5.658 1.00 0.00 H new ATOM 0 HB3 ASN A 45 7.817 -3.276 6.202 1.00 0.00 H new ATOM 0 HD21 ASN A 45 10.903 -1.967 7.521 1.00 0.00 H new ATOM 0 HD22 ASN A 45 9.972 -3.420 7.141 1.00 0.00 H new ATOM 682 N CYS A 46 7.265 -4.410 2.940 1.00 0.00 N ATOM 683 CA CYS A 46 6.084 -4.911 2.177 1.00 0.00 C ATOM 684 C CYS A 46 4.843 -4.899 3.061 1.00 0.00 C ATOM 685 O CYS A 46 4.906 -5.205 4.235 1.00 0.00 O ATOM 686 CB CYS A 46 6.416 -6.351 1.788 1.00 0.00 C ATOM 687 SG CYS A 46 5.164 -6.993 0.637 1.00 0.00 S ATOM 0 H CYS A 46 8.041 -5.067 3.024 1.00 0.00 H new ATOM 0 HA CYS A 46 5.882 -4.288 1.306 1.00 0.00 H new ATOM 0 HB2 CYS A 46 7.402 -6.393 1.325 1.00 0.00 H new ATOM 0 HB3 CYS A 46 6.456 -6.977 2.680 1.00 0.00 H new ATOM 692 N PRO A 47 3.751 -4.566 2.450 1.00 0.00 N ATOM 693 CA PRO A 47 2.445 -4.530 3.158 1.00 0.00 C ATOM 694 C PRO A 47 2.062 -5.917 3.675 1.00 0.00 C ATOM 695 O PRO A 47 1.106 -6.071 4.408 1.00 0.00 O ATOM 696 CB PRO A 47 1.484 -4.077 2.061 1.00 0.00 C ATOM 697 CG PRO A 47 2.168 -4.473 0.793 1.00 0.00 C ATOM 698 CD PRO A 47 3.610 -4.185 1.044 1.00 0.00 C ATOM 0 HA PRO A 47 2.446 -3.881 4.034 1.00 0.00 H new ATOM 0 HB2 PRO A 47 0.512 -4.561 2.158 1.00 0.00 H new ATOM 0 HB3 PRO A 47 1.311 -3.002 2.102 1.00 0.00 H new ATOM 0 HG2 PRO A 47 2.007 -5.527 0.567 1.00 0.00 H new ATOM 0 HG3 PRO A 47 1.791 -3.904 -0.057 1.00 0.00 H new ATOM 0 HD2 PRO A 47 4.263 -4.769 0.395 1.00 0.00 H new ATOM 0 HD3 PRO A 47 3.852 -3.135 0.879 1.00 0.00 H new ATOM 706 N GLU A 48 2.786 -6.929 3.291 1.00 0.00 N ATOM 707 CA GLU A 48 2.431 -8.299 3.763 1.00 0.00 C ATOM 708 C GLU A 48 3.671 -9.096 4.198 1.00 0.00 C ATOM 709 O GLU A 48 3.788 -9.480 5.344 1.00 0.00 O ATOM 710 CB GLU A 48 1.719 -9.004 2.588 1.00 0.00 C ATOM 711 CG GLU A 48 1.804 -8.191 1.286 1.00 0.00 C ATOM 712 CD GLU A 48 0.722 -8.682 0.323 1.00 0.00 C ATOM 713 OE1 GLU A 48 0.400 -9.858 0.374 1.00 0.00 O ATOM 714 OE2 GLU A 48 0.233 -7.874 -0.450 1.00 0.00 O ATOM 0 H GLU A 48 3.599 -6.871 2.678 1.00 0.00 H new ATOM 0 HA GLU A 48 1.787 -8.236 4.640 1.00 0.00 H new ATOM 0 HB2 GLU A 48 2.166 -9.986 2.431 1.00 0.00 H new ATOM 0 HB3 GLU A 48 0.672 -9.167 2.845 1.00 0.00 H new ATOM 0 HG2 GLU A 48 1.669 -7.130 1.495 1.00 0.00 H new ATOM 0 HG3 GLU A 48 2.790 -8.304 0.835 1.00 0.00 H new ATOM 721 N CYS A 49 4.587 -9.375 3.306 1.00 0.00 N ATOM 722 CA CYS A 49 5.784 -10.176 3.714 1.00 0.00 C ATOM 723 C CYS A 49 6.892 -9.274 4.279 1.00 0.00 C ATOM 724 O CYS A 49 8.045 -9.656 4.327 1.00 0.00 O ATOM 725 CB CYS A 49 6.228 -10.924 2.447 1.00 0.00 C ATOM 726 SG CYS A 49 7.305 -9.895 1.413 1.00 0.00 S ATOM 0 H CYS A 49 4.561 -9.089 2.327 1.00 0.00 H new ATOM 0 HA CYS A 49 5.552 -10.876 4.517 1.00 0.00 H new ATOM 0 HB2 CYS A 49 6.754 -11.837 2.727 1.00 0.00 H new ATOM 0 HB3 CYS A 49 5.351 -11.225 1.874 1.00 0.00 H new ATOM 731 N GLY A 50 6.529 -8.100 4.734 1.00 0.00 N ATOM 732 CA GLY A 50 7.517 -7.147 5.339 1.00 0.00 C ATOM 733 C GLY A 50 8.930 -7.358 4.783 1.00 0.00 C ATOM 734 O GLY A 50 9.846 -7.689 5.509 1.00 0.00 O ATOM 0 H GLY A 50 5.570 -7.753 4.712 1.00 0.00 H new ATOM 0 HA2 GLY A 50 7.199 -6.123 5.144 1.00 0.00 H new ATOM 0 HA3 GLY A 50 7.530 -7.276 6.421 1.00 0.00 H new ATOM 738 N THR A 51 9.122 -7.148 3.513 1.00 0.00 N ATOM 739 CA THR A 51 10.481 -7.311 2.929 1.00 0.00 C ATOM 740 C THR A 51 11.260 -6.008 3.126 1.00 0.00 C ATOM 741 O THR A 51 10.676 -4.948 3.209 1.00 0.00 O ATOM 742 CB THR A 51 10.234 -7.594 1.440 1.00 0.00 C ATOM 743 OG1 THR A 51 9.861 -8.954 1.282 1.00 0.00 O ATOM 744 CG2 THR A 51 11.500 -7.323 0.619 1.00 0.00 C ATOM 0 H THR A 51 8.396 -6.870 2.853 1.00 0.00 H new ATOM 0 HA THR A 51 11.062 -8.109 3.390 1.00 0.00 H new ATOM 0 HB THR A 51 9.439 -6.938 1.086 1.00 0.00 H new ATOM 0 HG1 THR A 51 8.897 -9.012 1.118 1.00 0.00 H new ATOM 0 HG21 THR A 51 11.303 -7.530 -0.433 1.00 0.00 H new ATOM 0 HG22 THR A 51 11.792 -6.279 0.735 1.00 0.00 H new ATOM 0 HG23 THR A 51 12.306 -7.967 0.970 1.00 0.00 H new ATOM 752 N PRO A 52 12.555 -6.124 3.201 1.00 0.00 N ATOM 753 CA PRO A 52 13.404 -4.925 3.392 1.00 0.00 C ATOM 754 C PRO A 52 13.412 -4.071 2.121 1.00 0.00 C ATOM 755 O PRO A 52 14.417 -3.956 1.448 1.00 0.00 O ATOM 756 CB PRO A 52 14.788 -5.507 3.674 1.00 0.00 C ATOM 757 CG PRO A 52 14.767 -6.864 3.046 1.00 0.00 C ATOM 758 CD PRO A 52 13.346 -7.357 3.119 1.00 0.00 C ATOM 0 HA PRO A 52 13.055 -4.272 4.192 1.00 0.00 H new ATOM 0 HB2 PRO A 52 15.574 -4.885 3.245 1.00 0.00 H new ATOM 0 HB3 PRO A 52 14.980 -5.570 4.745 1.00 0.00 H new ATOM 0 HG2 PRO A 52 15.107 -6.816 2.011 1.00 0.00 H new ATOM 0 HG3 PRO A 52 15.439 -7.543 3.571 1.00 0.00 H new ATOM 0 HD2 PRO A 52 13.081 -7.946 2.241 1.00 0.00 H new ATOM 0 HD3 PRO A 52 13.187 -7.994 3.989 1.00 0.00 H new ATOM 766 N LEU A 53 12.301 -3.467 1.786 1.00 0.00 N ATOM 767 CA LEU A 53 12.259 -2.622 0.561 1.00 0.00 C ATOM 768 C LEU A 53 13.327 -1.527 0.661 1.00 0.00 C ATOM 769 O LEU A 53 13.369 -0.772 1.611 1.00 0.00 O ATOM 770 CB LEU A 53 10.852 -2.020 0.546 1.00 0.00 C ATOM 771 CG LEU A 53 9.854 -3.041 -0.020 1.00 0.00 C ATOM 772 CD1 LEU A 53 9.746 -4.236 0.927 1.00 0.00 C ATOM 773 CD2 LEU A 53 8.477 -2.385 -0.151 1.00 0.00 C ATOM 0 H LEU A 53 11.426 -3.523 2.307 1.00 0.00 H new ATOM 0 HA LEU A 53 12.461 -3.183 -0.351 1.00 0.00 H new ATOM 0 HB2 LEU A 53 10.559 -1.733 1.556 1.00 0.00 H new ATOM 0 HB3 LEU A 53 10.841 -1.113 -0.059 1.00 0.00 H new ATOM 0 HG LEU A 53 10.201 -3.378 -0.997 1.00 0.00 H new ATOM 0 HD11 LEU A 53 9.037 -4.958 0.522 1.00 0.00 H new ATOM 0 HD12 LEU A 53 10.724 -4.707 1.032 1.00 0.00 H new ATOM 0 HD13 LEU A 53 9.400 -3.896 1.903 1.00 0.00 H new ATOM 0 HD21 LEU A 53 7.767 -3.108 -0.553 1.00 0.00 H new ATOM 0 HD22 LEU A 53 8.139 -2.050 0.830 1.00 0.00 H new ATOM 0 HD23 LEU A 53 8.544 -1.530 -0.823 1.00 0.00 H new ATOM 785 N ARG A 54 14.203 -1.450 -0.306 1.00 0.00 N ATOM 786 CA ARG A 54 15.285 -0.421 -0.261 1.00 0.00 C ATOM 787 C ARG A 54 14.719 0.990 -0.462 1.00 0.00 C ATOM 788 O ARG A 54 15.447 1.963 -0.445 1.00 0.00 O ATOM 789 CB ARG A 54 16.218 -0.787 -1.416 1.00 0.00 C ATOM 790 CG ARG A 54 17.671 -0.699 -0.947 1.00 0.00 C ATOM 791 CD ARG A 54 18.332 -2.073 -1.070 1.00 0.00 C ATOM 792 NE ARG A 54 19.209 -1.972 -2.268 1.00 0.00 N ATOM 793 CZ ARG A 54 18.874 -2.578 -3.374 1.00 0.00 C ATOM 794 NH1 ARG A 54 17.836 -2.171 -4.053 1.00 0.00 N ATOM 795 NH2 ARG A 54 19.578 -3.592 -3.802 1.00 0.00 N ATOM 0 H ARG A 54 14.216 -2.056 -1.126 1.00 0.00 H new ATOM 0 HA ARG A 54 15.793 -0.413 0.703 1.00 0.00 H new ATOM 0 HB2 ARG A 54 15.999 -1.795 -1.769 1.00 0.00 H new ATOM 0 HB3 ARG A 54 16.055 -0.113 -2.257 1.00 0.00 H new ATOM 0 HG2 ARG A 54 18.214 0.032 -1.546 1.00 0.00 H new ATOM 0 HG3 ARG A 54 17.710 -0.356 0.087 1.00 0.00 H new ATOM 0 HD2 ARG A 54 18.909 -2.315 -0.178 1.00 0.00 H new ATOM 0 HD3 ARG A 54 17.587 -2.860 -1.191 1.00 0.00 H new ATOM 0 HE ARG A 54 20.072 -1.429 -2.225 1.00 0.00 H new ATOM 0 HH11 ARG A 54 17.287 -1.379 -3.719 1.00 0.00 H new ATOM 0 HH12 ARG A 54 17.574 -2.645 -4.918 1.00 0.00 H new ATOM 0 HH21 ARG A 54 20.389 -3.910 -3.272 1.00 0.00 H new ATOM 0 HH22 ARG A 54 19.316 -4.066 -4.667 1.00 0.00 H new ATOM 809 N LYS A 55 13.436 1.113 -0.655 1.00 0.00 N ATOM 810 CA LYS A 55 12.840 2.460 -0.861 1.00 0.00 C ATOM 811 C LYS A 55 11.363 2.289 -1.219 1.00 0.00 C ATOM 812 O LYS A 55 10.878 1.183 -1.346 1.00 0.00 O ATOM 813 CB LYS A 55 13.678 3.090 -1.996 1.00 0.00 C ATOM 814 CG LYS A 55 12.804 3.581 -3.166 1.00 0.00 C ATOM 815 CD LYS A 55 12.175 2.401 -3.931 1.00 0.00 C ATOM 816 CE LYS A 55 13.056 1.149 -3.831 1.00 0.00 C ATOM 817 NZ LYS A 55 14.380 1.545 -4.394 1.00 0.00 N ATOM 0 H LYS A 55 12.774 0.337 -0.679 1.00 0.00 H new ATOM 0 HA LYS A 55 12.864 3.105 0.017 1.00 0.00 H new ATOM 0 HB2 LYS A 55 14.253 3.927 -1.599 1.00 0.00 H new ATOM 0 HB3 LYS A 55 14.396 2.357 -2.364 1.00 0.00 H new ATOM 0 HG2 LYS A 55 12.016 4.231 -2.786 1.00 0.00 H new ATOM 0 HG3 LYS A 55 13.409 4.178 -3.848 1.00 0.00 H new ATOM 0 HD2 LYS A 55 11.186 2.187 -3.527 1.00 0.00 H new ATOM 0 HD3 LYS A 55 12.040 2.672 -4.978 1.00 0.00 H new ATOM 0 HE2 LYS A 55 13.153 0.819 -2.797 1.00 0.00 H new ATOM 0 HE3 LYS A 55 12.624 0.320 -4.391 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 14.658 0.871 -5.135 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 14.312 2.499 -4.802 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 15.094 1.541 -3.638 1.00 0.00 H new ATOM 831 N SER A 56 10.639 3.359 -1.355 1.00 0.00 N ATOM 832 CA SER A 56 9.192 3.231 -1.674 1.00 0.00 C ATOM 833 C SER A 56 8.974 2.530 -3.029 1.00 0.00 C ATOM 834 O SER A 56 8.555 3.144 -3.991 1.00 0.00 O ATOM 835 CB SER A 56 8.673 4.666 -1.727 1.00 0.00 C ATOM 836 OG SER A 56 7.368 4.674 -2.289 1.00 0.00 O ATOM 0 H SER A 56 10.983 4.314 -1.260 1.00 0.00 H new ATOM 0 HA SER A 56 8.671 2.626 -0.932 1.00 0.00 H new ATOM 0 HB2 SER A 56 8.652 5.094 -0.725 1.00 0.00 H new ATOM 0 HB3 SER A 56 9.342 5.285 -2.325 1.00 0.00 H new ATOM 0 HG SER A 56 6.713 4.445 -1.597 1.00 0.00 H new ATOM 842 N ASN A 57 9.233 1.247 -3.109 1.00 0.00 N ATOM 843 CA ASN A 57 9.018 0.509 -4.397 1.00 0.00 C ATOM 844 C ASN A 57 7.573 0.015 -4.461 1.00 0.00 C ATOM 845 O ASN A 57 7.210 -0.894 -3.751 1.00 0.00 O ATOM 846 CB ASN A 57 9.976 -0.692 -4.336 1.00 0.00 C ATOM 847 CG ASN A 57 9.706 -1.491 -3.065 1.00 0.00 C ATOM 848 OD1 ASN A 57 10.035 -1.059 -1.981 1.00 0.00 O ATOM 849 ND2 ASN A 57 9.116 -2.652 -3.155 1.00 0.00 N ATOM 0 H ASN A 57 9.584 0.678 -2.339 1.00 0.00 H new ATOM 0 HA ASN A 57 9.201 1.134 -5.271 1.00 0.00 H new ATOM 0 HB2 ASN A 57 9.839 -1.325 -5.213 1.00 0.00 H new ATOM 0 HB3 ASN A 57 11.010 -0.348 -4.350 1.00 0.00 H new ATOM 0 HD21 ASN A 57 8.931 -3.197 -2.313 1.00 0.00 H new ATOM 0 HD22 ASN A 57 8.840 -3.014 -4.068 1.00 0.00 H new ATOM 856 N PHE A 58 6.737 0.609 -5.284 1.00 0.00 N ATOM 857 CA PHE A 58 5.299 0.157 -5.370 1.00 0.00 C ATOM 858 C PHE A 58 4.716 0.539 -6.737 1.00 0.00 C ATOM 859 O PHE A 58 4.345 1.672 -6.972 1.00 0.00 O ATOM 860 CB PHE A 58 4.565 0.872 -4.206 1.00 0.00 C ATOM 861 CG PHE A 58 5.192 0.435 -2.897 1.00 0.00 C ATOM 862 CD1 PHE A 58 6.331 1.081 -2.397 1.00 0.00 C ATOM 863 CD2 PHE A 58 4.645 -0.650 -2.200 1.00 0.00 C ATOM 864 CE1 PHE A 58 6.922 0.637 -1.204 1.00 0.00 C ATOM 865 CE2 PHE A 58 5.236 -1.091 -1.010 1.00 0.00 C ATOM 866 CZ PHE A 58 6.373 -0.448 -0.513 1.00 0.00 C ATOM 0 H PHE A 58 6.983 1.385 -5.899 1.00 0.00 H new ATOM 0 HA PHE A 58 5.193 -0.924 -5.281 1.00 0.00 H new ATOM 0 HB2 PHE A 58 4.640 1.954 -4.319 1.00 0.00 H new ATOM 0 HB3 PHE A 58 3.504 0.623 -4.219 1.00 0.00 H new ATOM 0 HD1 PHE A 58 6.754 1.920 -2.930 1.00 0.00 H new ATOM 0 HD2 PHE A 58 3.765 -1.147 -2.581 1.00 0.00 H new ATOM 0 HE1 PHE A 58 7.801 1.133 -0.819 1.00 0.00 H new ATOM 0 HE2 PHE A 58 4.813 -1.929 -0.476 1.00 0.00 H new ATOM 0 HZ PHE A 58 6.828 -0.789 0.405 1.00 0.00 H new ATOM 876 N ARG A 59 4.625 -0.413 -7.641 1.00 0.00 N ATOM 877 CA ARG A 59 4.057 -0.116 -8.994 1.00 0.00 C ATOM 878 C ARG A 59 2.565 -0.397 -8.970 1.00 0.00 C ATOM 879 O ARG A 59 2.130 -1.529 -9.014 1.00 0.00 O ATOM 880 CB ARG A 59 4.773 -1.047 -9.969 1.00 0.00 C ATOM 881 CG ARG A 59 4.796 -2.473 -9.414 1.00 0.00 C ATOM 882 CD ARG A 59 4.875 -3.469 -10.574 1.00 0.00 C ATOM 883 NE ARG A 59 6.148 -3.142 -11.275 1.00 0.00 N ATOM 884 CZ ARG A 59 6.184 -2.166 -12.141 1.00 0.00 C ATOM 885 NH1 ARG A 59 5.423 -2.205 -13.199 1.00 0.00 N ATOM 886 NH2 ARG A 59 6.983 -1.152 -11.947 1.00 0.00 N ATOM 0 H ARG A 59 4.919 -1.379 -7.498 1.00 0.00 H new ATOM 0 HA ARG A 59 4.197 0.924 -9.288 1.00 0.00 H new ATOM 0 HB2 ARG A 59 4.268 -1.033 -10.935 1.00 0.00 H new ATOM 0 HB3 ARG A 59 5.792 -0.697 -10.136 1.00 0.00 H new ATOM 0 HG2 ARG A 59 5.651 -2.603 -8.750 1.00 0.00 H new ATOM 0 HG3 ARG A 59 3.900 -2.659 -8.821 1.00 0.00 H new ATOM 0 HD2 ARG A 59 4.876 -4.497 -10.212 1.00 0.00 H new ATOM 0 HD3 ARG A 59 4.019 -3.367 -11.241 1.00 0.00 H new ATOM 0 HE ARG A 59 6.992 -3.681 -11.078 1.00 0.00 H new ATOM 0 HH11 ARG A 59 4.800 -2.998 -13.350 1.00 0.00 H new ATOM 0 HH12 ARG A 59 5.451 -1.442 -13.876 1.00 0.00 H new ATOM 0 HH21 ARG A 59 7.578 -1.123 -11.119 1.00 0.00 H new ATOM 0 HH22 ARG A 59 7.012 -0.389 -12.623 1.00 0.00 H new ATOM 900 N VAL A 60 1.792 0.638 -8.853 1.00 0.00 N ATOM 901 CA VAL A 60 0.313 0.489 -8.747 1.00 0.00 C ATOM 902 C VAL A 60 -0.375 0.393 -10.106 1.00 0.00 C ATOM 903 O VAL A 60 -0.290 1.267 -10.946 1.00 0.00 O ATOM 904 CB VAL A 60 -0.118 1.744 -7.998 1.00 0.00 C ATOM 905 CG1 VAL A 60 -0.086 2.945 -8.947 1.00 0.00 C ATOM 906 CG2 VAL A 60 -1.536 1.557 -7.456 1.00 0.00 C ATOM 0 H VAL A 60 2.125 1.602 -8.825 1.00 0.00 H new ATOM 0 HA VAL A 60 0.035 -0.436 -8.242 1.00 0.00 H new ATOM 0 HB VAL A 60 0.566 1.921 -7.168 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -0.395 3.842 -8.410 1.00 0.00 H new ATOM 0 HG12 VAL A 60 0.926 3.081 -9.328 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -0.767 2.769 -9.780 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -1.842 2.456 -6.921 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -2.221 1.377 -8.284 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -1.556 0.705 -6.776 1.00 0.00 H new ATOM 916 N GLN A 61 -1.076 -0.694 -10.292 1.00 0.00 N ATOM 917 CA GLN A 61 -1.826 -0.944 -11.551 1.00 0.00 C ATOM 918 C GLN A 61 -2.988 -1.894 -11.233 1.00 0.00 C ATOM 919 O GLN A 61 -3.111 -2.376 -10.123 1.00 0.00 O ATOM 920 CB GLN A 61 -0.822 -1.612 -12.492 1.00 0.00 C ATOM 921 CG GLN A 61 -0.515 -3.024 -11.993 1.00 0.00 C ATOM 922 CD GLN A 61 1.000 -3.207 -11.883 1.00 0.00 C ATOM 923 OE1 GLN A 61 1.757 -2.423 -12.419 1.00 0.00 O ATOM 924 NE2 GLN A 61 1.475 -4.216 -11.206 1.00 0.00 N ATOM 0 H GLN A 61 -1.160 -1.439 -9.600 1.00 0.00 H new ATOM 0 HA GLN A 61 -2.237 -0.039 -11.998 1.00 0.00 H new ATOM 0 HB2 GLN A 61 -1.227 -1.652 -13.503 1.00 0.00 H new ATOM 0 HB3 GLN A 61 0.095 -1.024 -12.539 1.00 0.00 H new ATOM 0 HG2 GLN A 61 -0.983 -3.188 -11.023 1.00 0.00 H new ATOM 0 HG3 GLN A 61 -0.933 -3.762 -12.678 1.00 0.00 H new ATOM 0 HE21 GLN A 61 0.838 -4.874 -10.756 1.00 0.00 H new ATOM 0 HE22 GLN A 61 2.483 -4.347 -11.126 1.00 0.00 H new ATOM 933 N LEU A 62 -3.842 -2.175 -12.177 1.00 0.00 N ATOM 934 CA LEU A 62 -4.979 -3.101 -11.887 1.00 0.00 C ATOM 935 C LEU A 62 -5.547 -3.671 -13.189 1.00 0.00 C ATOM 936 O LEU A 62 -6.607 -3.284 -13.640 1.00 0.00 O ATOM 937 CB LEU A 62 -6.024 -2.242 -11.171 1.00 0.00 C ATOM 938 CG LEU A 62 -6.480 -2.944 -9.888 1.00 0.00 C ATOM 939 CD1 LEU A 62 -5.508 -2.619 -8.752 1.00 0.00 C ATOM 940 CD2 LEU A 62 -7.879 -2.454 -9.509 1.00 0.00 C ATOM 0 H LEU A 62 -3.806 -1.809 -13.129 1.00 0.00 H new ATOM 0 HA LEU A 62 -4.670 -3.952 -11.280 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -5.604 -1.265 -10.932 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -6.878 -2.070 -11.826 1.00 0.00 H new ATOM 0 HG LEU A 62 -6.500 -4.021 -10.054 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -5.834 -3.119 -7.840 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -4.509 -2.964 -9.018 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -5.488 -1.542 -8.588 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -8.204 -2.953 -8.596 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -7.855 -1.377 -9.345 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -8.576 -2.683 -10.316 1.00 0.00 H new ATOM 952 N PHE A 63 -4.849 -4.593 -13.794 1.00 0.00 N ATOM 953 CA PHE A 63 -5.345 -5.196 -15.064 1.00 0.00 C ATOM 954 C PHE A 63 -5.123 -6.710 -15.045 1.00 0.00 C ATOM 955 O PHE A 63 -4.642 -7.290 -15.999 1.00 0.00 O ATOM 956 CB PHE A 63 -4.507 -4.544 -16.166 1.00 0.00 C ATOM 957 CG PHE A 63 -5.339 -4.403 -17.418 1.00 0.00 C ATOM 958 CD1 PHE A 63 -5.726 -5.543 -18.133 1.00 0.00 C ATOM 959 CD2 PHE A 63 -5.722 -3.132 -17.866 1.00 0.00 C ATOM 960 CE1 PHE A 63 -6.497 -5.413 -19.294 1.00 0.00 C ATOM 961 CE2 PHE A 63 -6.492 -3.003 -19.028 1.00 0.00 C ATOM 962 CZ PHE A 63 -6.879 -4.143 -19.742 1.00 0.00 C ATOM 0 H PHE A 63 -3.955 -4.955 -13.463 1.00 0.00 H new ATOM 0 HA PHE A 63 -6.412 -5.031 -15.214 1.00 0.00 H new ATOM 0 HB2 PHE A 63 -4.155 -3.566 -15.839 1.00 0.00 H new ATOM 0 HB3 PHE A 63 -3.623 -5.148 -16.371 1.00 0.00 H new ATOM 0 HD1 PHE A 63 -5.430 -6.523 -17.789 1.00 0.00 H new ATOM 0 HD2 PHE A 63 -5.423 -2.252 -17.315 1.00 0.00 H new ATOM 0 HE1 PHE A 63 -6.797 -6.293 -19.844 1.00 0.00 H new ATOM 0 HE2 PHE A 63 -6.788 -2.023 -19.374 1.00 0.00 H new ATOM 0 HZ PHE A 63 -7.472 -4.043 -20.639 1.00 0.00 H new ATOM 972 N GLU A 64 -5.469 -7.355 -13.963 1.00 0.00 N ATOM 973 CA GLU A 64 -5.276 -8.831 -13.878 1.00 0.00 C ATOM 974 C GLU A 64 -5.680 -9.499 -15.195 1.00 0.00 C ATOM 975 O GLU A 64 -6.604 -9.074 -15.859 1.00 0.00 O ATOM 976 CB GLU A 64 -6.195 -9.286 -12.743 1.00 0.00 C ATOM 977 CG GLU A 64 -5.388 -10.097 -11.727 1.00 0.00 C ATOM 978 CD GLU A 64 -5.965 -11.509 -11.628 1.00 0.00 C ATOM 979 OE1 GLU A 64 -6.884 -11.700 -10.849 1.00 0.00 O ATOM 980 OE2 GLU A 64 -5.478 -12.378 -12.333 1.00 0.00 O ATOM 0 H GLU A 64 -5.877 -6.923 -13.134 1.00 0.00 H new ATOM 0 HA GLU A 64 -4.236 -9.099 -13.695 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -6.647 -8.421 -12.257 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -7.010 -9.890 -13.141 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -4.342 -10.141 -12.029 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -5.418 -9.611 -10.752 1.00 0.00 H new ATOM 987 N ASP A 65 -4.993 -10.540 -15.577 1.00 0.00 N ATOM 988 CA ASP A 65 -5.336 -11.234 -16.852 1.00 0.00 C ATOM 989 C ASP A 65 -5.391 -12.748 -16.629 1.00 0.00 C ATOM 990 O ASP A 65 -6.258 -13.381 -17.209 1.00 0.00 O ATOM 991 CB ASP A 65 -4.205 -10.875 -17.816 1.00 0.00 C ATOM 992 CG ASP A 65 -2.858 -11.178 -17.156 1.00 0.00 C ATOM 993 OD1 ASP A 65 -2.526 -10.505 -16.195 1.00 0.00 O ATOM 994 OD2 ASP A 65 -2.182 -12.080 -17.624 1.00 0.00 O ATOM 995 OXT ASP A 65 -4.564 -13.248 -15.886 1.00 0.00 O ATOM 0 H ASP A 65 -4.209 -10.941 -15.062 1.00 0.00 H new ATOM 0 HA ASP A 65 -6.310 -10.933 -17.238 1.00 0.00 H new ATOM 0 HB2 ASP A 65 -4.306 -11.444 -18.740 1.00 0.00 H new ATOM 0 HB3 ASP A 65 -4.262 -9.820 -18.084 1.00 0.00 H new TER 1000 ASP A 65 HETATM 1001 ZN ZN A 66 -4.514 0.484 1.390 1.00 0.00 ZN HETATM 1002 ZN ZN A 67 6.012 -8.936 -0.229 1.00 0.00 ZN